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Author Kovnir, K.A.; Sobolev, A.V.; Presniakov, I.A.; Lebedev, O.I.; Van Tendeloo, G.; Schnelle, W.; Grin, Y.; Shevelkov, A.V. pdf  doi
openurl 
  Title Sn19.3Cu4.7As22I8: a new clathrate-I compound with transition-metal atoms in the cationic framework Type A1 Journal article
  Year 2005 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 44 Issue 24 Pages (down) 8786-8793  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000233488100020 Publication Date 2005-11-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 38 Open Access  
  Notes Approved Most recent IF: 4.857; 2005 IF: 3.851  
  Call Number UA @ lucian @ c:irua:56059 Serial 3555  
Permanent link to this record
 
 
Author Weber, D.; Huber, M.; Gorelik, T.E.; Abakumov, A.M.; Becker, N.; Niehaus, O.; Schwickert, C.; Culver, S.P.; Boysen, H.; Senyshyn, A.; Poettgen, R.; Dronskowski, R.; Ressler, T.; Kolb, U.; Lerch, M. pdf  doi
openurl 
  Title Molybdenum oxide nitrides of the Mo2(O,N,\square)5 type : on the way to Mo2O5 Type A1 Journal article
  Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 56 Issue 15 Pages (down) 8782-8792  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Blue-colored molybdenum oxide nitrides of the Mo-2(O,N,square)(5) type were synthesized by direct nitridation of commercially available molybdenum trioxide with a mixture of gaseous ammonia and oxygen. Chemical composition, crystal structure, and stability of the obtained and hitherto unknown compounds are studied extensively. The average oxidation state of +5 for molybdenum is proven by Mo K near-edge X-ray absorption spectroscopy; the magnetic behavior is in agreement with compounds exhibiting (MoO6)-O-v units. The new materials are stable up to similar to 773 K in an inert gas atmosphere. At higher temperatures, decomposition is observed. X-ray and neutron powder diffraction, electron diffraction, and high-resolution transmission electron microscopy reveal the structure to be related to VNb9O24.9-type phases, however, with severe disorder hampering full structure determination. Still, the results demonstrate the possibility of a future synthesis of the potential binary oxide Mo2O5. On the basis of these findings, a tentative suggestion on the crystal structure of the potential compound Mo2O5, backed by electronic-structure and phonon calculations from first principles, is given.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000407405500026 Publication Date 2017-07-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 3 Open Access Not_Open_Access  
  Notes ; Financial support from the Deutsche Forschungsgemeinschaft (SPP 1415, LE 781/ 11-1, DR 342/22-2) is gratefully acknowledged. The authors are grateful to J. Barthel, Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons Julich, Germany, for STEM image simulations. This work was further supported by Diamond Light Source (beamtime awards EE13560) within beamtime proposal SP13560. The Hamburg Synchrotron Radiation Laboratory, HASYLAB, and the FRM II, Garching, are acknowledged for providing beamtime. ; Approved Most recent IF: 4.857  
  Call Number UA @ lucian @ c:irua:145727 Serial 4744  
Permanent link to this record
 
 
Author Wang, W.; Snoeckx, R.; Zhang, X.; Cha, M.S.; Bogaerts, A. pdf  url
doi  openurl
  Title Modeling Plasma-based CO2and CH4Conversion in Mixtures with N2, O2, and H2O: The Bigger Plasma Chemistry Picture Type A1 Journal article
  Year 2018 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 122 Issue 16 Pages (down) 8704-8723  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Because of the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion has become a major research area. Many investigations have already been performed regarding the single-component gases, that is, CO2 splitting and CH4 reforming, as well as for two-component mixtures, that is, dry reforming of methane

(CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps toward the influence of N2 impurities have been taken, that is, CO2/N2 and CH4/N2. In this Feature Article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2, and H2O to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable

for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes as well as for investigating the influence of N2, O2, and H2O on these processes and even to support plasma-based multireforming processes.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000431151200002 Publication Date 2018-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 28 Open Access OpenAccess  
  Notes Federaal Wetenschapsbeleid, IAP/7 ; King Abdullah University of Science and Technology; H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N G.0383.16N G.0254.14N ; Approved Most recent IF: 4.536  
  Call Number PLASMANT @ plasmant @c:irua:150969 Serial 4922  
Permanent link to this record
 
 
Author Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. doi  openurl
  Title Hyperthermal oxidation of Si(100)2x1 surfaces : effect of growth temperature Type A1 Journal article
  Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 116 Issue 15 Pages (down) 8649-8656  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Using reactive molecular dynamics simulations based on the ReaxFF potential, we studied the growth mechanism of ultrathin silica (SiO2) layers during hyperthermal oxidation as a function of temperature in the range 100-1300 K. Oxidation of Si(100){2 x 1} surfaces by both atomic and molecular oxygen was investigated for hyperthermal impact energies in the range of 1 to 5 eV. Two different growth mechanisms are found, corresponding to a low temperature oxidation and a high temperature one. The transition temperature between these mechanisms is estimated to be about 700 K. Also, the initial step of the Si oxidation process is analyzed in detail. Where possible, we validated our results with experimental and ab initio data, and good agreement was obtained. This study is important for the fabrication of silica-based devices in the micro- and nanoelectronics industry and, more specifically, for the fabrication of metal oxide semiconductor devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000302924900035 Publication Date 2012-03-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 32 Open Access  
  Notes Approved Most recent IF: 4.536; 2012 IF: 4.814  
  Call Number UA @ lucian @ c:irua:98259 Serial 1542  
Permanent link to this record
 
 
Author Brito, B.G.A.; Hai, G.-Q.; Teixeira Rabelo, J.N.; Cândido, L. pdf  doi
openurl 
  Title A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 – (M = Li, Na, K, Rb, Cu, Ag and Au) Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 16 Issue 18 Pages (down) 8639-8645  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using fixed-node diffusion quantum Monte Carlo (FN-DMC) simulation we investigate the electron correlation in all-metal aromatic clusters MAl4- (with M = Li, Na, K, Rb, Cu, Ag and Au). The electron detachment energies and electron affinities of the clusters are obtained. The vertical electron detachment energies obtained from the FN-DMC calculations are in very good agreement with the available experimental results. Calculations are also performed within the Hartree-Fock approximation, density-functional theory (DFT), and the couple-cluster (CCSD(T)) method. From the obtained results, we analyse the impact of the electron correlation effects in these bimetallic clusters and find that the correlation of the valence electrons contributes significantly to the detachment energies and electron affinities, varying between 20% and 50% of their total values. Furthermore, we discuss the electron correlation effects on the stability of the clusters as well as the accuracy of the DFT and CCSD(T) calculations in the present systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000334602900052 Publication Date 2014-03-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 10 Open Access  
  Notes ; This research was supported by CNPq, FAPESP and FAPEG (Brazil). ; Approved Most recent IF: 4.123; 2014 IF: 4.493  
  Call Number UA @ lucian @ c:irua:117247 Serial 2781  
Permanent link to this record
 
 
Author Gál, Z.A.; Rutt, O.J.; Smura, C.F.; Overton, T.P.; Barrier, N.; Clarke, S.J.; Hadermann, J. pdf  doi
openurl 
  Title Structural chemistry and metamagnetism of an homologous series of layered manganese oxysulfides Type A1 Journal article
  Year 2006 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 128 Issue 26 Pages (down) 8530-8540  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000238590000040 Publication Date 2006-06-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 39 Open Access  
  Notes Iap V-1 Approved Most recent IF: 13.858; 2006 IF: 7.696  
  Call Number UA @ lucian @ c:irua:60030 Serial 3225  
Permanent link to this record
 
 
Author De Sloovere, D.; Safari, M.; Elen, K.; D'Haen, J.; Drozhzhin, O.A.; Abakumov, A.M.; Simenas, M.; Banys, J.; Bekaert, J.; Partoens, B.; Van Bael, M.K.; Hardy, A. pdf  doi
openurl 
  Title Reduced Na2+xTi4O9 composite : a durable anode for sodium-ion batteries Type A1 Journal article
  Year 2018 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 30 Issue 23 Pages (down) 8521-8527  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Sodium-ion batteries (SIBs) are potential cost-effective solutions for stationary energy storage applications. Unavailability of suitable anode materials, however, is one of the important barriers to the maturity of SIBs. Here, we report a Na2+xTi4O9/C composite as a promising anode candidate for SIBs with high capacity and cycling stability. This anode is characterized by a capacity of 124 mAh g(-1) (plus 11 mAh g(-1) contributed by carbon black), an average discharge potential of 0.9 V vs Na/Na+, a good rate capability and a high stability (89% capacity retention after 250 cycles at a rate of 1 degrees C). The mechanisms of sodium insertion/deinsertion and of the formation of Na2+xTi4O9/C are investigated with the aid of various ex/in situ characterization techniques. The in situ formed carbon is necessary for the formation of the reduced sodium titanate. This synthesis method may enable the convenient synthesis of other composites of crystalline phases with amorphous carbon.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000453489300014 Publication Date 2018-11-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 7 Open Access  
  Notes ; This work was supported by the FWO (Research Foundation Flanders, project G040116). O.A.D. and A.M.A. are grateful to the Russian Science Foundation for financial support (Grant 17-73-30006). The authors acknowledge Pieter Samyn for Raman spectroscopy, Fulya Ulu Okudur for preliminary TEM, Bart Ruttens for XRD, Hilde Pellaers for SEM, Tom Haeldermans for elemental analysis, and Karen Leyssen and Vera Meynen for physisorption measurements. ; Approved Most recent IF: 9.466  
  Call Number UA @ admin @ c:irua:156235 Serial 5227  
Permanent link to this record
 
 
Author Zhang, H.; Yang, J.-H.; Shpanchenko, R.V.; Abakumov, A.M.; Hadermann, J.; Clérac, R.; Dikarev, E.V. doi  openurl
  Title New class of single-source precursors for the synthesis of main group-transition metal oxides: heterobimetallic Pb-Mn \beta-diketonates Type A1 Journal article
  Year 2009 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 48 Issue 17 Pages (down) 8480-8488  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Heterometallic lead−manganese â-diketonates have been isolated in pure form by several synthetic methods that include solid-state and solution techniques. Two compounds with different Pb/Mn ratios, PbMn2(hfac)6 (1) and PbMn(hfac)4 (2) (hfac = hexafluoroacetylacetonate), can be obtained in quantitative yield by using different starting materials. Single crystal X-ray investigation revealed that the solid-state structure of 1 contains trinuclear molecules in which lead metal center is sandwiched between two [Mn(hfac)3] units, while 2 consists of infinite chains of alternating [Pb(hfac)2] and [Mn(hfac)2] fragments. The heterometallic structures are held together by strong Lewis acid−base interactions between metal atoms and diketonate ligands acting in chelating-bridging fashion. Spectroscopic investigation confirmed the retention of heterometallic structures in solutions of non-coordinating solvents as well as upon sublimation-deposition procedure. Thermal decomposition of heterometallic diketonates has been systematically investigated in a wide range of temperatures and annealing times. For the first time, it has been shown that thermal decomposition of heterometallic diketonates results in mixed-metal oxides, while both the structure of precursors and the thermolysis conditions have a significant influence on the nature of the resulting oxides. Five different Pb−Mn oxides have been detected by X-ray powder diffraction when studying the decomposition of 1 and 2 in the temperature range 500−800 °C. The phase that has been previously reported as Pb0.43MnO2.18 was synthesized in the pure form by decomposition of 1, and crystallographically characterized. The orthorhombic unit cell parameters of this oxide, obtained by electron diffraction technique, have been subsequently refined using X-ray powder diffraction data. Besides that, a previously unknown lead−manganese oxide has been obtained at low temperature decomposition and short annealing times. The parameters of its monoclinically distorted unit cell have been determined. The EDX analysis revealed that this compound has a Pb/Mn ratio close to 1:4 and contains no appreciable amount of fluorine.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000269313500056 Publication Date 2009-08-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 28 Open Access  
  Notes Approved Most recent IF: 4.857; 2009 IF: 4.657  
  Call Number UA @ lucian @ c:irua:78486 Serial 2308  
Permanent link to this record
 
 
Author Narayanan, V.; Lommens, P.; De Buysser, K.; Vanpoucke, D.E.P.; Huehne, R.; Molina, L.; Van Tendeloo, G.; van der Voort, P.; Van Driessche, I. pdf  doi
openurl 
  Title Aqueous CSD approach for the growth of novel, lattice-tuned LaxCe1-xO\delta epitaxial layers Type A1 Journal article
  Year 2012 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem  
  Volume 22 Issue 17 Pages (down) 8476-8483  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Lanthanumcerium oxide (LCO) films were deposited on Ni-5%W substrates by chemical solution deposition (CSD) from water-based precursors. LCO films containing different ratios of lanthanum and cerium ions (from CeO2 to La2Ce2O7) were prepared. The composition of the layers was optimized towards the formation of LCO buffer layers, lattice-matched with the superconducting YBa2Cu3Oy layer, useful for the development of coated conductors. Single, crack-free LCO layers with a thickness of up to 140 nm could be obtained in a single deposition step. The crystallinity and microstructure of these lattice-matched LCO layers were studied by X-ray diffraction techniques, RHEED and SEM. We find that only layers with thickness below 100 nm show a crystalline top surface although both thick and thin layers show good biaxial texture in XRD. On the most promising layers, AFM and (S)TEM were performed to further evaluate their morphology. The overall surface roughness varies between 3.9 and 7.5 nm, while the layers appear much more dense than the frequently used La2Zr2O7 (LZO) systems, showing much smaller nanovoids (12 nm) than the latter system. Their effective buffer layer action was studied using XPS. The thin LCO layers supported the growth of superconducting YBCO deposited using PLD methods.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000302367500044 Publication Date 2012-03-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 24 Open Access  
  Notes Iap Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:96960 Serial 148  
Permanent link to this record
 
 
Author Bal, K.M.; Neyts, E.C. pdf  url
doi  openurl
  Title Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches Type A1 Journal article
  Year 2018 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 20 Issue 13 Pages (down) 8456-8459  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000428779700007 Publication Date 2018-03-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 8 Open Access OpenAccess  
  Notes K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation – Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. Approved Most recent IF: 4.123  
  Call Number PLASMANT @ plasmant @c:irua:150357 Serial 4916  
Permanent link to this record
 
 
Author Romero-Pastor, J.; Duran, A.; Rodríguez-Navarro, A.B.; Van Grieken, R.; Cardell, C. doi  openurl
  Title Compositional and quantitative microtextural characterization of historic paintings by micro-X-ray diffraction and Raman microscopy Type A1 Journal article
  Year 2011 Publication Analytical chemistry Abbreviated Journal  
  Volume 83 Issue 22 Pages (down) 8420-8428  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract This work shows the benefits of characterizing historic paintings via compositional and microtextural data from micro-X-ray diffraction (μ-XRD) combined with molecular information acquired with Raman microscopy (RM) along depth profiles in paint stratigraphies. The novel approach was applied to identify inorganic and organic components from paintings placed at the 14th century Islamic UniversityMadrasah Yusufiyyain Granada (Spain), the only Islamic University still standing from the time of Al-Andalus (Islamic Spain). The use of μ-XRD to obtain quantitative microtextural information of crystalline phases provided by two-dimensional diffraction patterns to recognize pigments nature and manufacture, and decay processes in complex paint cross sections, has not been reported yet. A simple Nasrid (14th century) palette made of gypsum, vermilion, and azurite mixed with glue was identified in polychromed stuccos. Here also a Christian intervention was found via the use of smalt, barite, hematite, Brunswick green and gold; oil was the binding media employed. On mural paintings and wood ceilings, more complex palettes dated to the 19th century were found, made of gypsum, anhydrite, barite, dolomite, calcite, lead white, hematite, minium, synthetic ultramarine blue, and black carbon. The identified binders were glue, egg yolk, and oil.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000296830200011 Publication Date 2011-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:92679 Serial 7715  
Permanent link to this record
 
 
Author Li, M.R.; Walker, D.; Retuerto, M.; Sarkar, T.; Hadermann, J.; Stephens, P.W.; Croft, M.; Ignatov, A.; Grams, C.P.; Hemberger, J.; Nowik, I.; Halasyamani, P.S.; Tran, T.T.; Mukherjee, S.; Dasgupta, T.S.; Greenblatt, M.; pdf  doi
openurl 
  Title Polar and magnetic Mn2FeMO6 (M=Nb, Ta) with LiNbO3-type structure : high-pressure synthesis Type A1 Journal article
  Year 2013 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit  
  Volume 52 Issue 32 Pages (down) 8406-8410  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000322631600044 Publication Date 2013-06-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.994 Times cited 53 Open Access  
  Notes Approved Most recent IF: 11.994; 2013 IF: 11.336  
  Call Number UA @ lucian @ c:irua:110749 Serial 2657  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title On the effect of centrifugal stretching on the rotational partition function of an asymmetric top Type A1 Journal article
  Year 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 95 Issue Pages (down) 8374-8389  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1991GR66500062 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.952 Times cited 12 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:716 Serial 2434  
Permanent link to this record
 
 
Author Bafekry, A.; Faraji, M.; Ziabari, A.A.; Fadlallah, M.M.; Nguyen, C., V; Ghergherehchi, M.; Feghhi, S.A.H. url  doi
openurl 
  Title A van der Waals heterostructure of MoS₂/MoSi₂N₄ : a first-principles study Type A1 Journal article
  Year 2021 Publication New Journal Of Chemistry Abbreviated Journal New J Chem  
  Volume 45 Issue 18 Pages (down) 8291-8296  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by the successful preparation of MoSi2N4 monolayers in the last year [Y.-L. Hong et al., Science, 2020, 369, 670-674], we investigate the structural, electronic and optical properties of the MoS2/MoSi2N4 heterostructure (HTS). The phonon dispersion and the binding energy calculations refer to the stability of the HTS. The heterostructure has an indirect bandgap of 1.26 (1.84) eV using PBE (HSE06) which is smaller than the corresponding value of MoSi2N4 and MoS2 monolayers. We find that the work function of the MoS2/MoSi2N4 HTS is smaller than the corresponding value of its individual monolayers. The heterostructure structure can enhance the absorption of light spectra not only in the ultraviolet region but also in the visible region as compared to MoSi2N4 and MoS2 monolayers. The refractive index behaviour of the HTS can be described as the cumulative effect which is well described in terms of a combination of the individual effects (the refractive index of MoSi2N4 and MoS2 monolayers).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000642436200001 Publication Date 2021-03-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1144-0546 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.269 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.269  
  Call Number UA @ admin @ c:irua:178300 Serial 6964  
Permanent link to this record
 
 
Author Perez, A.J.; Batuk, D.; Saubanère, M.; Rousse, G.; Foix, D.; Mc Calla, E.; J. Berg, E.; Dugas, R.; van den Bos, K. H. W.; Doublet, M.-L.; Gonbeau, D.; Abakumov, A.M.; Van Tendeloo, G.; Tarascon, J.-M. pdf  url
doi  openurl
  Title Strong oxygen participation in the redox governing the structural and electrochemical properties of Na-rich layered oxide Na2IrO3 Type A1 Journal article
  Year 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 28 Issue 28 Pages (down) 8278-8288  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The recent revival of the Na-ion battery concept has prompted intense activities in the search for new Na-based layered oxide positive electrodes. The largest capacity to date was obtained for a Na-deficient layered oxide that relies on cationic redox processes only. To go beyond this limit, we decided to chemically manipulate these Na-based layered compounds in a way to trigger the participation of the anionic network. We herein report the electrochemical properties of a Na-rich phase Na2IrO3, which can reversibly cycle 1.5 Na+ per formula unit while not suffering from oxygen release nor cationic migrations. Such large capacities, as deduced by complementary XPS, X-ray/neutron diffraction and transmission electron microscopy measurements, arise from cumulative cationic and anionic redox processes occurring simultaneously at potentials as low as 3.0 V. The inability to remove more than 1.5 Na+ is rooted in the formation of an O1-type phase having highly stabilized Na sites as confirmed by DFT calculations, which could rationalize as well the competing metal/oxygen redox processes in Na2IrO3. This work will help to define the most fertile directions in the search for novel high energy Na-rich materials based on more sustainable elements than Ir.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000388914500021 Publication Date 2016-10-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 45 Open Access  
  Notes The authors thank Montse Casas-Cabanas and Marine Reynaud for discussions about the FAULTS program, Sandra Van Aert for her great help in guiding us towards the use of the statistical parameter estimation method for establishing the O-O histogram, and Thomas Hansen and Vladimir Pomjakushin for their precious help in neutron diffraction experiments. This work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institute, Villigen, Switzerland, and at Institut Laue Langevin, Grenoble, France. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the U.S. department of Energy under contract No. DE-AC02-06CH11357 and is greatly acknowledged. Approved Most recent IF: 9.466  
  Call Number EMAT @ emat @ c:irua:135994 Serial 4287  
Permanent link to this record
 
 
Author Kirsanova, M.A.; Mori, T.; Maruyama, S.; Abakumov, A.M.; Van Tendeloo, G.; Olenev, A.; Shevelkov, A.V. pdf  doi
openurl 
  Title Cationic clathrate of type-III Ge172-xPxTey (y\approx21,5, x\approx2y) : synthesis, crystal structure and thermoelectric properties Type A1 Journal article
  Year 2013 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 52 Issue 14 Pages (down) 8272-8279  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A first germanium-based cationic clathrate of type-III, Ge129.3P42.7Te21.53, was synthesized and structurally characterized (space group P42/mnm, a = 19.948(3) Å, c = 10.440(2) Å, Z = 1). In its crystal structure, germanium and phosphorus atoms form three types of polyhedral cages centered with Te atoms. The polyhedra share pentagonal and hexagonal faces to form a 3D framework. Despite the complexity of the crystal structure, the Ge129.3P42.7Te21.53 composition corresponds to the Zintl counting scheme with a good accuracy. Ge129.3P42.7Te21.53 demonstrates semiconducting/insulating behavior of electric resistivity, high positive Seebeck coefficient (500 μV K1 at 300 K), and low thermal conductivity (<0.92 W m1 K1) within the measured temperature range.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000322087100052 Publication Date 2013-06-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 3 Open Access  
  Notes Countatoms Approved Most recent IF: 4.857; 2013 IF: 4.794  
  Call Number UA @ lucian @ c:irua:109214 Serial 301  
Permanent link to this record
 
 
Author Lepoittevin, C.; Hadermann, J.; Malo, S.; Pérez, O.; Van Tendeloo, G.; Hervieu, M. pdf  doi
openurl 
  Title Two variants of the 1/2[110]p(203)p crystallographic shear structures: the phasoid Sr0.61Pb0.18(Fe0.75Mn0.25)O2.29 Type A1 Journal article
  Year 2009 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 48 Issue 17 Pages (down) 8257-8262  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract For the composition (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29, a new modulated crystallographic shear structure, related to perovskite, has been synthesized and structurally characterized by transmission electron microscopy. The structure can be described using a monoclinic supercell with cell parameters am = 27.595(2) Å, bm = 3.8786(2) Å, cm = 13.3453(9) Å, and βm = 100.126(5)°, refined from powder X-ray diffraction data. The incommensurate crystallographic shear phases require an alternative approach using the superspace formalism. This allows a unified description of the incommensurate phases from a monoclinically distorted perovskite unit cell and a modulation wave vector. The structure deduced from the high-resolution transmission electron microscopy and high-angle annular dark-field−scanning transmission electron microscopy images is that of a 1/2[110]p(203)p crystallographic shear structure. The structure follows the concept of a phasoid, with two coexisting variants with the same unit cell. The difference is situated at the translational interface, with the local formation of double (phase 2) or single (phase 1) tunnels, where the Pb cations are likely located.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000269313500032 Publication Date 2009-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 11 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 4.857; 2009 IF: 4.657  
  Call Number UA @ lucian @ c:irua:78482 Serial 3786  
Permanent link to this record
 
 
Author Berthelot, A.; Bogaerts, A. pdf  url
doi  openurl
  Title Modeling of CO2Splitting in a Microwave Plasma: How to Improve the Conversion and Energy Efficiency Type A1 Journal article
  Year 2017 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 121 Issue 121 Pages (down) 8236-8251  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Microwave plasmas are one of the most promising techniques for CO2 conversion into value-added chemicals and fuels since they are very energy efficient. Nevertheless, experiments show that this high energy efficiency is only reached at low pressures and significantly drops toward atmospheric pressure, which is a clear limitation for industrial applications. In this paper, we use a zerodimensional reaction kinetics model to simulate a CO2 microwave plasma in a pressure range from 50 mbar to 1 bar, in order to evaluate the reasons for this decrease in energy efficiency at atmospheric pressure. The code includes a detailed description of the vibrational kinetics of CO2, CO, and O2 as well as the energy exchanges between them because the vibrational kinetics is known to be crucial for energy efficient CO2 splitting. First, we use a self-consistent gas temperature calculation in order to assess the key performance indicators for CO2 splitting, i.e., the CO2 conversion and corresponding energy efficiency. Our results indicate that lower pressures and higher power densities lead to more vibrational excitation, which is beneficial for the conversion. We also demonstrate the key role of the gas temperature. The model predicts the highest conversion and energy efficiencies at pressures around 300 mbar, which is in agreement with experiments from the literature. We also show the beneficial aspect of fast gas cooling in the afterglow at high pressure. In a second step, we study in more detail the effects of pressure, gas temperature, and power density on the vibrational distribution function and on the dissociation and recombination mechanisms of CO2, which define the CO2 splitting efficiency. This study allows us to identify the limiting factors of CO2 conversion and to propose potential solutions to improve the process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000400039300002 Publication Date 2017-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 47 Open Access OpenAccess  
  Notes Federaal Wetenschapsbeleid; Approved Most recent IF: 4.536  
  Call Number PLASMANT @ plasmant @ c:irua:142809 Serial 4567  
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Author Ying, J.; Hu, Z.-Y.; Yang, X.-Y.; Wei, H.; Xiao, Y.-X.; Janiak, C.; Mu, S.-C.; Tian, G.; Pan, M.; Van Tendeloo, G.; Su, B.-L. pdf  url
doi  openurl
  Title High viscosity to highly dispersed PtPd bimetallic nanocrystals for enhanced catalytic activity and stability Type A1 Journal article
  Year 2016 Publication Chemical communications Abbreviated Journal Chem Commun  
  Volume 52 Issue 52 Pages (down) 8219-8222  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A facile high-viscosity-solvent method is presented to synthesize PtPd bimetallic nanocrystals highly dispersed in different mesostructures (2D and 3D structures), porosities (large and small pore sizes), and compositions (silica and carbon). Further, highly catalytic activity, stability and durability of the nanometals have been proven in different catalytic reactions.  
  Address State Key Laboratory Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, 122, Luoshi Road, Wuhan, 430070, China. xyyang@whut.edu.cn  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000378715400006 Publication Date 2016-05-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-7345 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.319 Times cited 19 Open Access  
  Notes This work was supported by NFSC (51472190 and 51503166), ISTCP (2015DFE52870), PCSIRT (IRT15R52) of China, and the Integrated Infrastructure Initiative of EU (312483-ESTEEM2).; esteem2jra4 Approved Most recent IF: 6.319  
  Call Number c:irua:134660 c:irua:134660 Serial 4110  
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Author Sliem, M.A.; Turner, S.; Heeskens, D.; Kalidindi, S.B.; Van Tendeloo, G.; Muhler, M.; Fischer, R.A. pdf  doi
openurl 
  Title Preparation, microstructure characterization and catalytic performance of Cu/ZnO and ZnO/Cu composite nanoparticles for liquid phase methanol synthesis Type A1 Journal article
  Year 2012 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 14 Issue 22 Pages (down) 8170-8178  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Stearate@Cu/ZnO nanocomposite particles with molar ratios of ZnO ∶ Cu = 2 and 5 are synthesized by reduction of the metalorganic Cu precursor [Cu{(OCH(CH3)CH2N(CH3)2)}2] in the presence of stearate@ZnO nanoparticles. In the case of ZnO ∶ Cu = 5, high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) combined with electron-energy-loss-spectroscopy (EELS) as well as attenuated total reflection Fourier transform infrared (ATR-IR) spectroscopy are used to localize the small amount of Cu deposited on the surface of 35 nm sized stearate@ZnO particles. For ZnO ∶ Cu = 2, the microstructure of the nanocomposites after catalytic activity testing is characterized by HAADF-STEM techniques. This reveals the construction of large Cu nanoparticles (2050 nm) decorated by small ZnO nanoparticles (35 nm). The catalytic activity of both composites for the synthesis of methanol from syn gas is evaluated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000304102200033 Publication Date 2012-04-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 16 Open Access  
  Notes Fwo Approved Most recent IF: 4.123; 2012 IF: 3.829  
  Call Number UA @ lucian @ c:irua:98377 Serial 2702  
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Author Wang, Y.; Sentosun, K.; Li, A.; Coronado-Puchau, M.; Sánchez-Iglesias, A.; Li, S.; Su, X.; Bals, S.; Liz-Marzán, L.M. pdf  url
doi  openurl
  Title Engineering Structural Diversity in Gold Nanocrystals by Ligand-Mediated Interface Control Type A1 Journal article
  Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 27 Issue 27 Pages (down) 8032-8040  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Surface and interface control is fundamentally important for crystal growth engineering, catalysis, surface enhanced spectroscopies, and self-assembly, among other processes and applications. Understanding the role of ligands in regulating surface properties of plasmonic metal nanocrystals during growth has received considerable attention. However, the underlying mechanisms and the diverse functionalities of ligands are yet to be fully addressed. In this contribution,

we report a systematic study of ligand-mediated interface control in seeded growth of gold nanocrystals, leading to diverse and exotic nanostructures with an improved surface enhanced Raman scattering (SERS) activity. Three dimensional transmission electron microscopy (3D TEM) revealed an intriguing gold shell growth process mediated by the bifunctional ligand 1,4-benzenedithiol (BDT), which leads to a unique crystal growth mechanism as compared to other ligands, and subsequently to the concept of interfacial energy control mechanism. Volmer-Weber growth mode was proposed to be responsible for BDT-mediated seeded growth, favoring the strongest interfacial energy and generating an asymmetric island growth pathway with internal crevices/gaps. This additionally favors incorporation of BDT at the plasmonic nanogaps, thereby generating strong SERS activity with a maximum efficiency for a core-semishell configuration obtained along seeded growth. Numerical modeling was used to explain this observation. Interestingly, the same strategy can be used to engineer the structural diversity of this system, by using gold nanoparticle seeds with various sizes and shapes, and varying the [Au3+]/[Au0] ratio. This rendered a series of diverse and exotic plasmonic nanohybrids such as semishell-coated gold nanorods, with embedded Raman-active tags and Janus surface with distinct surface functionalities.

These would greatly enrich the plasmonic nanostructure toolbox for various studies and applications such as anisotropic nanocrystal engineering, SERS, and high-resolution Raman bioimaging or nanoantenna devices.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000366223200023 Publication Date 2015-10-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 18 Open Access OpenAccess  
  Notes The authors thank Bart Goris for his help with electron tomography. This work was funded by the European Commission (Grant #310445-2, SAVVY). The authors acknowledge financial support from European Research Council (ERC Advanced Grant # 267867- PLASMAQUO, ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI). Wang Y. and Su X. would like to acknowledge the Agency for Science, Technology and Research (A*STAR), Singapore, for the financial support under the Grant JCO 14302FG096. M. C.-P. acknowledges an FPU scholarship from the Spanish Ministry of Education, Culture and Sports.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 9.466; 2015 IF: 8.354  
  Call Number c:irua:129598 c:irua:129598 Serial 3972  
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Author Tobías, G.; Beltrán-Porter, D.; Lebedev, O.I.; Van Tendeloo, G.; Rodríguez-Carvajal, J.; Fuertes, A. pdf  doi
openurl 
  Title Anion ordering and defect structure in Ruddlesden-Popper strontium niobium oxynitrides Type A1 Journal article
  Year 2004 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 43 Issue 25 Pages (down) 8010-8017  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000225717700020 Publication Date 2004-12-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 31 Open Access  
  Notes Approved Most recent IF: 4.857; 2004 IF: 3.454  
  Call Number UA @ lucian @ c:irua:54873 Serial 120  
Permanent link to this record
 
 
Author Aghaei, M.; Lindner, H.; Bogaerts, A. pdf  url
doi  openurl
  Title Ion Clouds in the Inductively Coupled Plasma Torch: A Closer Look through Computations Type A1 Journal article
  Year 2016 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 88 Issue 88 Pages (down) 8005-8018  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We have computationally investigated the introduction of copper elemental particles in an inductively coupled plasma torch connected to a sampling cone, including for the first time the ionization of the sample. The sample is inserted as liquid particles, which are followed inside the entire torch, i.e., from the injector inlet up to the ionization and reaching the sampler. The spatial position of the ion clouds inside the torch as well as detailed information on the copper species fluxes at the position of the sampler orifice and the exhausts of the torch are provided. The effect of on- and off-axis injection is studied. We clearly show that the ion clouds of on-axis injected material are located closer to the sampler with less radial diffusion. This guarantees a higher transport efficiency through the sampler cone. Moreover, our model reveals the optimum ranges of applied power and flow rates, which ensure the proper position of ion clouds inside the torch, i.e., close enough to the sampler to increase the fraction that can enter the mass spectrometer and with minimum loss of material toward the exhausts as well as a sufficiently high plasma temperature for efficient ionization.  
  Address Research Group PLASMANT, Chemistry Department, University of Antwerp , Universiteitsplein 1, 2610 Antwerp, Belgium  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000381654800020 Publication Date 2016-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 9 Open Access  
  Notes The authors gratefully acknowledge financial support from the Fonds voor Wetenschappelijk Onderzoek (FWO), Grant Number 6713. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA. Approved Most recent IF: 6.32  
  Call Number PLASMANT @ plasmant @ c:irua:135644 Serial 4293  
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Author Tsoufis, T.; Georgakilas, V.; Ke, X.; Van Tendeloo, G.; Rudolf, P.; Gournis, D. pdf  doi
openurl 
  Title Incorporation of pure fullerene into organoclays : towards C60-pillared clay structures Type A1 Journal article
  Year 2013 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J  
  Volume 19 Issue 24 Pages (down) 7937-7943  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In this work, we demonstrate the successful incorporation of pure fullerene from solution into two-dimensional layered aluminosilicate minerals. Pure fullerenes are insoluble in water and neutral in terms of charge, hence they cannot be introduced into the clay galleries by ion exchange or intercalation from water solution. To overcome this bottleneck, we organically modified the clay with quaternary amines by using well-established reactions in clay science in order to expand the interlayer space and render the galleries organophilic. During the reaction with the fullerene solution, the organic solvent could enter into the clay galleries, thus transferring along the fullerene molecules. Furthermore, we demonstrate that the surfactant molecules, can be selectively removed by either simple ion-exchange reaction (e.g., interaction with Al(NO3)3 solution to replace the surfactant molecules with Al3+ ions) or thermal treatment (heating at 350 °C) to obtain novel fullerene-pillared clay structures exhibiting enhanced surface area. The synthesized hybrid materials were characterized in detail by a combination of experimental techniques including powder X-ray diffraction, transmission electron microscopy, X-ray photoemission, and UV/Vis spectroscopy as well as thermal analysis and nitrogen adsorptiondesorption measurements. The reported fullerene-pillared clay structures constitute a new hybrid system with very promising potential for the use in areas such as gas storage and/or gas separation due to their high surface area.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000319825500035 Publication Date 2013-04-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.317 Times cited 3 Open Access  
  Notes 262348 Esmi; 246791 Countatoms Approved Most recent IF: 5.317; 2013 IF: 5.696  
  Call Number UA @ lucian @ c:irua:107347 Serial 1599  
Permanent link to this record
 
 
Author Florea, A.; Schram, J.; De Jong, M.; Eliaerts, J.; Van Durme, F.; Kaur, B.; Samyn, N.; De Wael, K. url  doi
openurl 
  Title Electrochemical strategies for adulterated heroin samples Type A1 Journal article
  Year 2019 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 91 Issue 12 Pages (down) 7920-7928  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Electrochemical strategies to selectively detect heroin in street samples without the use of complicated electrode modifications were developed for the first time. For this purpose, heroin, mixing agents (adulterants, cutting agent, and impurities), and their binary mixtures were subjected to square wave voltammetry measurements at bare graphite electrodes at pH 7.0 and pH 12.0, in order to elucidate the unique electrochemical fingerprint of heroin and mixing agents as well as possible interferences or reciprocal influences. Adjusting the pH from pH 7.0 to pH 12.0 allowed a more accurate detection of heroin in the presence of most common mixing agents. Furthermore, the benefit of introducing a preconditioning step prior to running square wave voltammetry on the electrochemical fingerprint enrichment was explored. Mixtures of heroin with other drugs (cocaine, 3,4-methylenedioxymethamphetamine, and morphine) were also tested to explore the possibility of their discrimination and simultaneous detection. The feasibility of the proposed electrochemical strategies was tested on realistic heroin street samples from forensic cases, showing promising results for fast, on-site detection tools of drugs of abuse.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000472682000056 Publication Date 2019-05-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 2 Open Access  
  Notes ; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. The authors also acknowledge IOF (UAntwerp) and Belspo for financial support. ; Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:160061 Serial 5596  
Permanent link to this record
 
 
Author Ranjbari, E.; Hadjmohammadi, M.R.; Kiekens, F.; De Wael, K. pdf  url
doi  openurl
  Title Mixed hemi/ad-micelle sodium dodecyl sulfate-coated magnetic iron oxide nanoparticles for the efficient removal and trace determination of rhodamine-B and rhodamine-6G Type A1 Journal article
  Year 2015 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 87 Issue 15 Pages (down) 7894-7901  
  Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Mixed hemi/ad-micelle sodium dodecyl sulfate (SDS)-coated magnetic iron oxide nanoparticles (MHAMS-MIONPs) were used as an efficient adsorbent for both removal and preconcentration of two important carcinogenic xanthine dyes named rhodamine-B (RB) and rhodamine-6G (RG). To gain insight in the configuration of SDS molecules on the surface of MIONPs, zeta potential measurements were performed in different [SDS]/[MIONP] ratios. Zeta potential data indicated that mixed hemi/ad-micelle MHAM was formed in [SDS]/[MIONP] ratios over the range of 1.1 to 7.3. Parameters affecting the adsorption of dyes were optimized as removal efficiency by one variable at-a-time and response surface methodology; the obtained removal efficiencies were ∼100%. Adsorption kinetic and equilibrium studies, under the optimum condition (pH = 2; amount of MIONPs = 87.15 mg; [SDS]/[MIONP] ratio = 2.9), showed that adsorption of both dyes are based on the pseudo-second-order and the Langmuir isotherm models, respectively. The maximum adsorption capacities for RB and RG were 385 and 323 mg g1, respectively. MHAMS-MIONPs were also applied for extraction of RB and RG. Under optimum conditions (pH = 2; amount of damped MHAMS-MIONPs = 90 mg; eluent solvent volume = 2.6 mL of 3% acetic acid in acetonitrile), extraction recoveries for 0.5 mg L1 of RB and RG were 98% and 99%, with preconcentration factors of 327 and 330, respectively. Limit of detection obtained for rhodamine dyes were <0.7 ng mL1. Finally, MHAMS-MIONPs were successfully applied for both removal and trace determination of RB and RG in environmental and wastewater samples.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000359277900056 Publication Date 2015-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 36 Open Access  
  Notes ; ; Approved Most recent IF: 6.32; 2015 IF: 5.636  
  Call Number UA @ admin @ c:irua:126583 Serial 5730  
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Author Dubinina, T.V.; Moiseeva, E.O.; Astvatsaturov, D.A.; Borisova, N.E.; Tarakanov, P.A.; Trashin, S.A.; De Wael, K.; Tomilova, L.G. pdf  url
doi  openurl
  Title Novel 2-naphthyl substituted zinc naphthalocyanine : synthesis, optical, electrochemical and spectroelectrochemical properties Type A1 Journal article
  Year 2020 Publication New Journal Of Chemistry Abbreviated Journal New J Chem  
  Volume 44 Issue 19 Pages (down) 7849-7857  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract New zinc naphthalocyanine with bulky 2-naphthyl groups was obtained. Aggregation drastically influences its optical and electrochemical behavior. Spectroelectrochemistry helps to establish the oxidation potential and reveals unusual color change.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000536157700023 Publication Date 2020-04-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1144-0546 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.3 Times cited 1 Open Access  
  Notes ; Synthesis, identification and optical studies of target compounds were supported by the Russian Science Foundation Grant No 19-73-00099. Electrochemical and spectroelectrochemical measurements were supported by ERA.Net RUS Plus Plasmon Electrolight and FWO funding (RFBR No 18-53-76006 ERA). Fluorescence studies were supported by the Council under the President of the Russian Federation for State Support of Young Scientists and Leading Scientific Schools (Grant MD-3847.2019.3). The NMR spectroscopic measurements were carried out in the Laboratory of Magnetic Tomography and Spectroscopy, Faculty of Fundamental Medicine of Moscow State University. ; Approved Most recent IF: 3.3; 2020 IF: 3.269  
  Call Number UA @ admin @ c:irua:168952 Serial 6570  
Permanent link to this record
 
 
Author Van de Sompel, P.; Khalilov, U.; Neyts, E.C. pdf  url
doi  openurl
  Title Contrasting H-etching to OH-etching in plasma-assisted nucleation of carbon nanotubes Type A1 Journal article
  Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C  
  Volume 125 Issue 14 Pages (down) 7849-7855  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract To gain full control over the growth of carbon nanotubes (CNTs) using plasma-enhanced chemical vapor deposition (PECVD), a thorough understanding of the underlying plasma-catalyst mechanisms is required. Oxygen-containing species are often used as or added to the growth precursor gas, but these species also yield various radicals and ions, which may simultaneously etch the CNT during the growth. At present, the effect of these reactive species on the growth onset has not yet been thoroughly investigated. We here report on the etching mechanism of incipient CNT structures from OH and O radicals as derived from combined (reactive) molecular dynamics (MD) and force-bias Monte Carlo (tfMC) simulations. Our results indicate that the oxygen-containing radicals initiate a dissociation process. In particular, we show how the oxygen species weaken the interaction between the CNT and the nanocluster. As a result of this weakened interaction, the CNT closes off and dissociates from the cluster in the form of a fullerene. Beyond the specific systems studied in this work, these results are generically important in the context of PECVD-based growth of CNTs using oxygen-containing precursors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000641307100032 Publication Date 2021-04-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4.536 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 4.536  
  Call Number UA @ admin @ c:irua:178393 Serial 7729  
Permanent link to this record
 
 
Author Abakumov, A.M.; Batuk, M.; Tsirlin, A.A.; Tyablikov, O.A.; Sheptyakov, D.V.; Filimonov, D.S.; Pokholok, K.V.; Zhidal, V.S.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.; pdf  doi
openurl 
  Title Structural and magnetic phase transitions in the AnBnO3n-2 anion-deficient perovskites Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 Type A1 Journal article
  Year 2013 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 52 Issue 14 Pages (down) 7834-7843  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Novel anion-deficient perovskite-based ferrites Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 were synthesized by solid-state reaction in air. Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 belong to the perovskite-based AnBnO3n2 homologous series with n = 5 and 6, respectively, with a unit cell related to the perovskite subcell ap as ap√2 × ap × nap√2. Their structures are derived from the perovskite one by slicing it with 1/2[110]p(1̅01)p crystallographic shear (CS) planes. The CS operation results in (1̅01)p-shaped perovskite blocks with a thickness of (n 2) FeO6 octahedra connected to each other through double chains of edge-sharing FeO5 distorted tetragonal pyramids which can adopt two distinct mirror-related configurations. Ordering of chains with a different configuration provides an extra level of structure complexity. Above T ≈ 750 K for Pb2Ba2BiFe5O13 and T ≈ 400 K for Pb1.5Ba2.5Bi2Fe6O16 the chains have a disordered arrangement. On cooling, a second-order structural phase transition to the ordered state occurs in both compounds. Symmetry changes upon phase transition are analyzed using a combination of superspace crystallography and group theory approach. Correlations between the chain ordering pattern and octahedral tilting in the perovskite blocks are discussed. Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 undergo a transition into an antiferromagnetically (AFM) ordered state, which is characterized by a G-type AFM ordering of the Fe magnetic moments within the perovskite blocks. The AFM perovskite blocks are stacked along the CS planes producing alternating FM and AFM-aligned FeFe pairs. In spite of the apparent frustration of the magnetic coupling between the perovskite blocks, all n = 4, 5, 6 AnFenO3n2 (A = Pb, Bi, Ba) feature robust antiferromagnetism with similar Néel temperatures of 623632 K.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000322087100006 Publication Date 2013-02-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 10 Open Access  
  Notes Countatoms Approved Most recent IF: 4.857; 2013 IF: 4.794  
  Call Number UA @ lucian @ c:irua:109213 Serial 3196  
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Author King, G.; Abakumov, A.M.; Woodward, P.M.; Llobet, A.; Tsirlin, A.A.; Batuk, D.; Antipov, E.V. doi  openurl
  Title The high-temperature polymorphs of K3AlF6 Type A1 Journal article
  Year 2011 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 50 Issue 16 Pages (down) 7792-7801  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The crystal structures of the three high-temperature polymorphs of K3AlF6 have been solved from neutron powder diffraction, synchrotron X-ray powder diffraction, and electron diffraction data. The β-phase (stable between 132 and 153 °C) and γ-phase (stable between 153 to 306 °C) can be described as unusually complex superstructures of the double-perovskite structure (K2KAlF6) which result from noncooperative tilting of the AlF6 octahedra. The β-phase is tetragonal, space group I4/m, with lattice parameters of a = 13.3862(5) Å and c = 8.5617(3) Å (at 143 °C) and Z = 10. In this phase, one-fifth of the AlF6 octahedra are rotated about the c-axis by 45° while the other four-fifths remain untilted. The large 45° rotations result in edge sharing between these AlF6 octahedra and the neighboring K-centered polyhedra, resulting in pentagonal bipyramidal coordination for four-fifths of the K+ ions that reside on the B-sites of the perovskite structure. The remaining one-fifth of the K+ ions on the B-sites retain octahedral coordination. The γ-phase is orthorhombic, space group Fddd, with lattice parameters of a = 36.1276(4) Å, b = 17.1133(2) Å, and c = 12.0562(1) Å (at 225 °C) and Z = 48. In the γ-phase, one-sixth of the AlF6 octahedra are randomly rotated about one of two directions by 45° while the other five-sixths remain essentially untilted. These rotations result in two-thirds of the K+ ions on the B-site obtaining 7-fold coordination while the other one-third remain in octahedral coordination. The δ-phase adopts the ideal cubic double-perovskite structure, space group Fmm, with a = 8.5943(1) Å at 400 °C. However, pair distribution function analysis shows that locally the δ-phase is quite different from its long-range average crystal structure. The AlF6 octahedra undergo large-amplitude rotations which are accompanied by off-center displacements of the K+ ions that occupy the 12-coordinate A-sites.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000293493100052 Publication Date 2011-07-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 19 Open Access  
  Notes Approved Most recent IF: 4.857; 2011 IF: 4.601  
  Call Number UA @ lucian @ c:irua:91131 Serial 1468  
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